N-[(4-cyclobutylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide

C30H37F3N4O2S — CID 142589952

IUPACN-[(4-cyclobutylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
SMILESCc1cc(SC2CCC2)c(CNC(=O)c2c(C)n([C@H](C)C3CCN(CC(F)(F)F)CC3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C30H37F3N4O2S/c1-18-15-26(40-22-7-6-8-22)24(28(38)35-18)16-34-29(39)27-20(3)37(25-10-5-4-9-23(25)27)19(2)21-11-13-36(14-12-21)17-30(31,32)33/h4-5,9-10,15,19,21-22H,6-8,11-14,16-17H2,1-3H3,(H,34,39)(H,35,38)/t19-/m1/s1
InChIKeyLBDNSZFBOIGWRL-LJQANCHMSA-N
MW574.71 g/mol
LogP6.36
Rot. Bonds8

About N-[(4-cyclobutylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide

N-[(4-cyclobutylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide (PubChem CID 142589952) has the molecular formula C30H37F3N4O2S and a molecular weight of 574.71 g/mol. Its IUPAC name is N-[(4-cyclobutylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclobutylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
PubChem CID142589952
Molecular FormulaC30H37F3N4O2S
Molecular Weight574.71 g/mol
Exact Mass574.26
IUPAC NameN-[(4-cyclobutylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
SMILESCc1cc(SC2CCC2)c(CNC(=O)c2c(C)n([C@H](C)C3CCN(CC(F)(F)F)CC3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C30H37F3N4O2S/c1-18-15-26(40-22-7-6-8-22)24(28(38)35-18)16-34-29(39)27-20(3)37(25-10-5-4-9-23(25)27)19(2)21-11-13-36(14-12-21)17-30(31,32)33/h4-5,9-10,15,19,21-22H,6-8,11-14,16-17H2,1-3H3,(H,34,39)(H,35,38)/t19-/m1/s1
InChIKeyLBDNSZFBOIGWRL-LJQANCHMSA-N
XLogP6.36
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.71
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-cyclobutylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclobutylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide?
The IUPAC name of N-[(4-cyclobutylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide (CID 142589952) is N-[(4-cyclobutylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide.
What is the SMILES notation for N-[(4-cyclobutylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide?
The canonical SMILES for N-[(4-cyclobutylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide is Cc1cc(SC2CCC2)c(CNC(=O)c2c(C)n([C@H](C)C3CCN(CC(F)(F)F)CC3)c3ccccc23)c(=O)[nH]1.
What is the InChIKey of N-[(4-cyclobutylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide?
The InChIKey is LBDNSZFBOIGWRL-LJQANCHMSA-N. The full InChI is InChI=1S/C30H37F3N4O2S/c1-18-15-26(40-22-7-6-8-22)24(28(38)35-18)16-34-29(39)27-20(3)37(25-10-5-4-9-23(25)27)19(2)21-11-13-36(14-12-21)17-30(31,32)33/h4-5,9-10,15,19,21-22H,6-8,11-14,16-17H2,1-3H3,(H,34,39)(H,35,38)/t19-/m1/s1.
What are the key properties of N-[(4-cyclobutylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide?
N-[(4-cyclobutylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide has a molecular weight of 574.71 g/mol, XLogP of 6.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclobutylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 142589952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).